N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

C29H26F2N6O2 — CID 168929534

IUPACN-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCc1cc(F)c(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cncc(-c2ccnc(NC(=O)C3CC3)c2)n1
InChIInChI=1S/C29H26F2N6O2/c1-16-10-21(30)22(36-28(39)19-7-8-33-25(11-19)29(2,3)31)13-20(16)24-15-32-14-23(35-24)18-6-9-34-26(12-18)37-27(38)17-4-5-17/h6-15,17H,4-5H2,1-3H3,(H,36,39)(H,34,37,38)
InChIKeyJAMROQLPUOKJOQ-UHFFFAOYSA-N
MW528.56 g/mol
LogP5.85
Rot. Bonds7

About N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (PubChem CID 168929534) has the molecular formula C29H26F2N6O2 and a molecular weight of 528.56 g/mol. Its IUPAC name is N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
PubChem CID168929534
Molecular FormulaC29H26F2N6O2
Molecular Weight528.56 g/mol
Exact Mass528.21
IUPAC NameN-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCc1cc(F)c(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cncc(-c2ccnc(NC(=O)C3CC3)c2)n1
InChIInChI=1S/C29H26F2N6O2/c1-16-10-21(30)22(36-28(39)19-7-8-33-25(11-19)29(2,3)31)13-20(16)24-15-32-14-23(35-24)18-6-9-34-26(12-18)37-27(38)17-4-5-17/h6-15,17H,4-5H2,1-3H3,(H,36,39)(H,34,37,38)
InChIKeyJAMROQLPUOKJOQ-UHFFFAOYSA-N
XLogP5.85
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.56
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (CID 168929534) is N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is Cc1cc(F)c(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cncc(-c2ccnc(NC(=O)C3CC3)c2)n1.
What is the InChIKey of N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The InChIKey is JAMROQLPUOKJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N6O2/c1-16-10-21(30)22(36-28(39)19-7-8-33-25(11-19)29(2,3)31)13-20(16)24-15-32-14-23(35-24)18-6-9-34-26(12-18)37-27(38)17-4-5-17/h6-15,17H,4-5H2,1-3H3,(H,36,39)(H,34,37,38).
What are the key properties of N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide has a molecular weight of 528.56 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 168929534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).